CID 211526

23338-38-7

Structural Information

Molecular Formula
C23H24ClN3O3
SMILES
COC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)C3=CC(=CC=C3)Cl)CCN4CCOCC4
InChI
InChI=1S/C23H24ClN3O3/c1-29-20-7-5-17(6-8-20)22-16-21(18-3-2-4-19(24)15-18)23(28)27(25-22)10-9-26-11-13-30-14-12-26/h2-8,15-16H,9-14H2,1H3
InChIKey
RUQWYSFMCBXOMM-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-(2-morpholin-4-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1506 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15788 204.5
[M+Na]+ 448.13982 211.7
[M-H]- 424.14332 212.7
[M+NH4]+ 443.18442 208.8
[M+K]+ 464.11376 205.4
[M+H-H2O]+ 408.14786 190.7
[M+HCOO]- 470.14880 214.5
[M+CH3COO]- 484.16445 212.1
[M+Na-2H]- 446.12527 205.3
[M]+ 425.15005 206.3
[M]- 425.15115 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.